CID 5356210

10598-87-5

Structural Information

Molecular Formula
C10H12N4O6
SMILES
CCOC(=O)CN(C(=O)N)/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C10H12N4O6/c1-2-19-9(15)6-13(10(11)16)12-5-7-3-4-8(20-7)14(17)18/h3-5H,2,6H2,1H3,(H2,11,16)/b12-5+
InChIKey
ONHUPCAVZVIYFY-LFYBBSHMSA-N
Compound name
ethyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.07568 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08296 160.9
[M+Na]+ 307.06490 164.9
[M-H]- 283.06840 167.3
[M+NH4]+ 302.10950 175.6
[M+K]+ 323.03884 163.1
[M+H-H2O]+ 267.07294 157.3
[M+HCOO]- 329.07388 189.4
[M+CH3COO]- 343.08953 202.0
[M+Na-2H]- 305.05035 165.9
[M]+ 284.07513 162.8
[M]- 284.07623 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.